[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C23H28ClNO3 MolecularWeight: 401.92632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C(C2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C2=CC=C(C=C2)Cl)C(C)C

InChI

InChI=1S/C23H28ClNO3/c1-4-5-6-17-7-13-20(14-8-17)25-21(26)15-28-23(27)22(16(2)3)18-9-11-19(24)12-10-18/h7-14,16,22H,4-6,15H2,1-3H3,(H,25,26)/t22-/m0/s1